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Compile Data Set for Download or QSAR

Found 268 hits with Last Name = 'hirashima' and Initial = 's'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493926
PNG
(US10988462, Example 37)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(nc1)N(C)C |r|
Show InChI InChI=1S/C25H27F4N7O3/c1-13-18(12-30-21(13)37)22(38)33-20-9-19(36(34-20)16-10-31-23(32-11-16)35(4)5)14-6-15(26)8-17(7-14)39-24(2,3)25(27,28)29/h6-11,13,18H,12H2,1-5H3,(H,30,37)(H,33,34,38)/t13-,18+/m1/s1
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n/an/a 0.980n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493905
PNG
(US10988462, Example 20)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-17(11-34-21(12)38)22(39)35-20-9-18(37(36-20)15-4-5-19(33-10-15)24(27,28)29)13-6-14(26)8-16(7-13)40-23(2,3)25(30,31)32/h4-10,12,17H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,17+/m1/s1
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493906
PNG
(US10988462, Example 21)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C24H22F5N5O3/c1-12-18(11-31-21(12)35)22(36)32-20-8-19(34(33-20)16-6-15(26)9-30-10-16)13-4-14(25)7-17(5-13)37-23(2,3)24(27,28)29/h4-10,12,18H,11H2,1-3H3,(H,31,35)(H,32,33,36)/t12-,18+/m1/s1
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493894
PNG
(US10988462, Example 10)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-18(11-34-21(12)38)22(39)35-20-8-19(37(36-20)16-6-14(9-33-10-16)24(27,28)29)13-4-15(26)7-17(5-13)40-23(2,3)25(30,31)32/h4-10,12,18H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,18+/m1/s1
PDB

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n/an/a 1.20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493901
PNG
(US10988462, Example 17)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C24H22ClF4N5O3/c1-12-18(11-31-21(12)35)22(36)32-20-8-19(34(33-20)16-6-14(25)9-30-10-16)13-4-15(26)7-17(5-13)37-23(2,3)24(27,28)29/h4-10,12,18H,11H2,1-3H3,(H,31,35)(H,32,33,36)/t12-,18+/m1/s1
PDB

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n/an/a 1.30n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493879
PNG
(US10988462, Example 1)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F7N6O3/c1-11-16(10-32-19(11)38)20(39)35-18-7-17(37(36-18)14-8-33-21(34-9-14)23(26,27)28)12-4-13(25)6-15(5-12)40-22(2,3)24(29,30)31/h4-9,11,16H,10H2,1-3H3,(H,32,38)(H,35,36,39)/t11-,16+/m1/s1
PDB

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n/an/a 1.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493925
PNG
(US10988462, Example 36)
Show SMILES COc1ncc(cn1)-n1nc(NC(=O)[C@H]2CNC(=O)[C@@H]2C)cc1-c1cc(F)cc(OC(C)(C)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C24H24F4N6O4/c1-12-17(11-29-20(12)35)21(36)32-19-8-18(34(33-19)15-9-30-22(37-4)31-10-15)13-5-14(25)7-16(6-13)38-23(2,3)24(26,27)28/h5-10,12,17H,11H2,1-4H3,(H,29,35)(H,32,33,36)/t12-,17+/m1/s1
PDB

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antibodypedia
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n/an/a 1.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493917
PNG
(US10988462, Example 30)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C21H16ClF4N5O3/c1-10-16(9-28-19(10)32)20(33)29-18-6-17(31(30-18)14-4-12(22)7-27-8-14)11-2-13(23)5-15(3-11)34-21(24,25)26/h2-8,10,16H,9H2,1H3,(H,28,32)(H,29,30,33)/t10-,16+/m1/s1
PDB

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n/an/a 2.70n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493897
PNG
(US10988462, Example 13)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnccc1C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-16(10-34-21(12)38)22(39)35-20-9-18(37(36-20)19-11-33-5-4-17(19)24(27,28)29)13-6-14(26)8-15(7-13)40-23(2,3)25(30,31)32/h4-9,11-12,16H,10H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,16+/m1/s1
PDB

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n/an/a 2.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493907
PNG
(US10988462, Example 22)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cncnc1 |r|
Show InChI InChI=1S/C23H22F4N6O3/c1-12-17(10-30-20(12)34)21(35)31-19-7-18(33(32-19)15-8-28-11-29-9-15)13-4-14(24)6-16(5-13)36-22(2,3)23(25,26)27/h4-9,11-12,17H,10H2,1-3H3,(H,30,34)(H,31,32,35)/t12-,17+/m1/s1
PDB

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n/an/a 3.40n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493898
PNG
(US10988462, Example 14)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnccc1C#N |r|
Show InChI InChI=1S/C25H22F4N6O3/c1-13-18(11-32-22(13)36)23(37)33-21-9-19(35(34-21)20-12-31-5-4-14(20)10-30)15-6-16(26)8-17(7-15)38-24(2,3)25(27,28)29/h4-9,12-13,18H,11H2,1-3H3,(H,32,36)(H,33,34,37)/t13-,18+/m1/s1
PDB

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n/an/a 3.70n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493927
PNG
(US10988462, Example 38)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C24H24F4N6O3/c1-12-18(11-31-21(12)35)22(36)32-20-8-19(34(33-20)16-9-29-13(2)30-10-16)14-5-15(25)7-17(6-14)37-23(3,4)24(26,27)28/h5-10,12,18H,11H2,1-4H3,(H,31,35)(H,32,33,36)/t12-,18+/m1/s1
PDB

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n/an/a 4n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493896
PNG
(US10988462, Example 12)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cccnc1C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-16(11-34-21(12)38)22(39)35-19-10-18(37(36-19)17-5-4-6-33-20(17)24(27,28)29)13-7-14(26)9-15(8-13)40-23(2,3)25(30,31)32/h4-10,12,16H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,16+/m1/s1
PDB

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n/an/a 4.30n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493924
PNG
(US10988462, Example 35)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C22H18ClF4N5O3/c1-11-17(9-29-20(11)33)21(34)30-19-6-18(32(31-19)15-4-13(23)7-28-8-15)12-2-14(24)5-16(3-12)35-10-22(25,26)27/h2-8,11,17H,9-10H2,1H3,(H,29,33)(H,30,31,34)/t11-,17+/m1/s1
PDB

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n/an/a 4.60n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493909
PNG
(US10988462, Example 24)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C25H22F7N5O3/c1-12-17(11-34-21(12)38)22(39)35-19-9-18(37(36-19)20-5-4-14(10-33-20)24(27,28)29)13-6-15(26)8-16(7-13)40-23(2,3)25(30,31)32/h4-10,12,17H,11H2,1-3H3,(H,34,38)(H,35,36,39)/t12-,17+/m1/s1
PDB

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n/an/a 5.30n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493910
PNG
(US10988462, Example 25)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cnc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F7N6O3/c1-10-15(8-30-18(10)36)19(37)33-17-5-16(11-2-12(23)4-14(3-11)38-9-21(24,25)26)35(34-17)13-6-31-20(32-7-13)22(27,28)29/h2-7,10,15H,8-9H2,1H3,(H,30,36)(H,33,34,37)/t10-,15+/m1/s1
PDB

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n/an/a 5.70n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493918
PNG
(US10988462, Example 31)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F7N5O3/c1-11-17(9-32-20(11)36)21(37)33-19-6-18(12-2-14(24)5-16(3-12)38-10-22(25,26)27)35(34-19)15-4-13(7-31-8-15)23(28,29)30/h2-8,11,17H,9-10H2,1H3,(H,32,36)(H,33,34,37)/t11-,17+/m1/s1
PDB

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n/an/a 5.70n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493921
PNG
(US10988462, Example 33)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F7N5O3/c1-11-16(9-32-20(11)36)21(37)33-19-7-17(12-4-13(24)6-15(5-12)38-10-22(25,26)27)35(34-19)14-2-3-18(31-8-14)23(28,29)30/h2-8,11,16H,9-10H2,1H3,(H,32,36)(H,33,34,37)/t11-,16+/m1/s1
PDB

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n/an/a 5.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493899
PNG
(US10988462, Example 15)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H21F7N6O3/c1-11-15(8-34-20(11)38)21(39)35-18-7-16(37(36-18)19-10-32-17(9-33-19)23(26,27)28)12-4-13(25)6-14(5-12)40-22(2,3)24(29,30)31/h4-7,9-11,15H,8H2,1-3H3,(H,34,38)(H,35,36,39)/t11-,15+/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493914
PNG
(US10988462, Example 28)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1ccc(nc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H16F7N5O3/c1-10-15(9-31-19(10)35)20(36)32-18-7-16(11-4-12(23)6-14(5-11)37-22(27,28)29)34(33-18)13-2-3-17(30-8-13)21(24,25)26/h2-8,10,15H,9H2,1H3,(H,31,35)(H,32,33,36)/t10-,15+/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493895
PNG
(US10988462, Example 11)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cccnc1C#N |r|
Show InChI InChI=1S/C25H22F4N6O3/c1-13-17(12-32-22(13)36)23(37)33-21-10-20(35(34-21)19-5-4-6-31-18(19)11-30)14-7-15(26)9-16(8-14)38-24(2,3)25(27,28)29/h4-10,13,17H,12H2,1-3H3,(H,32,36)(H,33,34,37)/t13-,17+/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493886
PNG
(US10988462, Example 3)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H16F7N5O3/c1-10-16(9-31-19(10)35)20(36)32-18-6-17(11-2-13(23)5-15(3-11)37-22(27,28)29)34(33-18)14-4-12(7-30-8-14)21(24,25)26/h2-8,10,16H,9H2,1H3,(H,31,35)(H,32,33,36)/t10-,16+/m1/s1
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n/an/a 8.60n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50370763
PNG
(CHEMBL1203926)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCN4CCCCC4)CCn3c2c1
Show InChI InChI=1S/C30H37N3O2/c34-30(35)23-13-14-24-27(21-23)33-20-19-32(18-17-31-15-7-2-8-16-31)26-12-6-5-11-25(26)29(33)28(24)22-9-3-1-4-10-22/h5-6,11-14,21-22H,1-4,7-10,15-20H2,(H,34,35)
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n/an/a 9n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase

J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493890
PNG
(US10988462, Example 6)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(n1)-c1cncc(Cl)c1 |r|
Show InChI InChI=1S/C21H17ClF3N5O3/c1-11-16(10-27-19(11)31)20(32)28-18-7-17(30(29-18)14-6-13(22)8-26-9-14)12-3-2-4-15(5-12)33-21(23,24)25/h2-9,11,16H,10H2,1H3,(H,27,31)(H,28,29,32)/t11-,16+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493923
PNG
(US10988462, Example 34)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OCC(F)(F)F)c2)n(n1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C22H18F5N5O3/c1-11-17(9-29-20(11)33)21(34)30-19-6-18(32(31-19)15-4-14(24)7-28-8-15)12-2-13(23)5-16(3-12)35-10-22(25,26)27/h2-8,11,17H,9-10H2,1H3,(H,29,33)(H,30,31,34)/t11-,17+/m1/s1
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n/an/a 9.80n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493908
PNG
(US10988462, Example 23)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(C)(C)C(F)(F)F)c2)n(n1)-c1cnccn1 |r|
Show InChI InChI=1S/C23H22F4N6O3/c1-12-16(10-30-20(12)34)21(35)31-18-9-17(33(32-18)19-11-28-4-5-29-19)13-6-14(24)8-15(7-13)36-22(2,3)23(25,26)27/h4-9,11-12,16H,10H2,1-3H3,(H,30,34)(H,31,32,35)/t12-,16+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191541
PNG
(2-[4-(4'-chloro-4-methylcarbamoylbiphenyl-2-ylmeth...)
Show SMILES CNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H31ClFN3O4/c1-38-34(41)22-9-14-28(21-7-11-25(36)12-8-21)24(17-22)20-44-27-13-15-29(30(37)19-27)33-39-31-18-23(35(42)43)10-16-32(31)40(33)26-5-3-2-4-6-26/h7-19,26H,2-6,20H2,1H3,(H,38,41)(H,42,43)
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n/an/a 12n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191533
PNG
(2-[4-(4'-chloro-4-dimethylcarbamoylbiphenyl-2-ylme...)
Show SMILES CN(C)C(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H33ClFN3O4/c1-40(2)35(42)23-10-15-29(22-8-12-26(37)13-9-22)25(18-23)21-45-28-14-16-30(31(38)20-28)34-39-32-19-24(36(43)44)11-17-33(32)41(34)27-6-4-3-5-7-27/h8-20,27H,3-7,21H2,1-2H3,(H,43,44)
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n/an/a 12n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191505
PNG
(2-[4-(4-carbamoyl-4'-chlorobiphenyl-2-ylmethoxy)ph...)
Show SMILES NC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C34H30ClN3O4/c35-26-12-6-21(7-13-26)29-16-10-23(32(36)39)18-25(29)20-42-28-14-8-22(9-15-28)33-37-30-19-24(34(40)41)11-17-31(30)38(33)27-4-2-1-3-5-27/h6-19,27H,1-5,20H2,(H2,36,39)(H,40,41)
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n/an/a 13n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191549
PNG
(2-[4-(4'-chloro-4-isopropylcarbamoylbiphenyl-2-ylm...)
Show SMILES CC(C)NC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H35ClFN3O4/c1-22(2)40-36(43)24-10-15-30(23-8-12-27(38)13-9-23)26(18-24)21-46-29-14-16-31(32(39)20-29)35-41-33-19-25(37(44)45)11-17-34(33)42(35)28-6-4-3-5-7-28/h8-20,22,28H,3-7,21H2,1-2H3,(H,40,43)(H,44,45)
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n/an/a 13n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50158838
PNG
(2-{4-[2-(4-chlorophenyl)-5-(4-hydroxyhexahydro-1-p...)
Show SMILES OC1CCN(CC1)C(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C39H37ClFN3O5/c40-28-10-6-24(7-11-28)32-13-8-25(38(46)43-18-16-30(45)17-19-43)20-27(32)23-49-31-12-14-33(34(41)22-31)37-42-35-21-26(39(47)48)9-15-36(35)44(37)29-4-2-1-3-5-29/h6-15,20-22,29-30,45H,1-5,16-19,23H2,(H,47,48)
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n/an/a 14n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493885
PNG
(US10988462, Example 2)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cc(F)cc(OC(F)(F)F)c2)n(n1)-c1cncc(F)c1 |r|
Show InChI InChI=1S/C21H16F5N5O3/c1-10-16(9-28-19(10)32)20(33)29-18-6-17(31(30-18)14-4-13(23)7-27-8-14)11-2-12(22)5-15(3-11)34-21(24,25)26/h2-8,10,16H,9H2,1H3,(H,28,32)(H,29,30,33)/t10-,16+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191508
PNG
(2-{4-[4'-chloro-4-(morpholine-4-carbonyl)biphenyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)C(=O)N2CCOCC2)cc1F
Show InChI InChI=1S/C38H35ClFN3O5/c39-28-10-6-24(7-11-28)31-13-8-25(37(44)42-16-18-47-19-17-42)20-27(31)23-48-30-12-14-32(33(40)22-30)36-41-34-21-26(38(45)46)9-15-35(34)43(36)29-4-2-1-3-5-29/h6-15,20-22,29H,1-5,16-19,23H2,(H,45,46)
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n/an/a 14n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191538
PNG
(2-[4-(4-acetylamino-4'-chlorobiphenyl-2-ylmethoxy)...)
Show SMILES CC(=O)Nc1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H31ClFN3O4/c1-21(41)38-26-12-14-29(22-7-10-25(36)11-8-22)24(17-26)20-44-28-13-15-30(31(37)19-28)34-39-32-18-23(35(42)43)9-16-33(32)40(34)27-5-3-2-4-6-27/h7-19,27H,2-6,20H2,1H3,(H,38,41)(H,42,43)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191527
PNG
(2-[4-(4'-chloro-4-dimethylcarbamoylbiphenyl-2-ylme...)
Show SMILES CN(C)C(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H34ClN3O4/c1-39(2)35(41)25-12-18-31(23-8-14-28(37)15-9-23)27(20-25)22-44-30-16-10-24(11-17-30)34-38-32-21-26(36(42)43)13-19-33(32)40(34)29-6-4-3-5-7-29/h8-21,29H,3-7,22H2,1-2H3,(H,42,43)
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n/an/a 15n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191519
PNG
(2-{4-[4-(acetylmethylamino)-4'-chlorobiphenyl-2-yl...)
Show SMILES CN(C(C)=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H33ClFN3O4/c1-22(42)40(2)28-13-15-30(23-8-11-26(37)12-9-23)25(18-28)21-45-29-14-16-31(32(38)20-29)35-39-33-19-24(36(43)44)10-17-34(33)41(35)27-6-4-3-5-7-27/h8-20,27H,3-7,21H2,1-2H3,(H,43,44)
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n/an/a 16n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191532
PNG
(2-[4-(4'-chloro-4-sulfamoylbiphenyl-2-ylmethoxy)ph...)
Show SMILES NS(=O)(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C33H30ClN3O5S/c34-25-11-6-21(7-12-25)29-16-15-28(43(35,40)41)18-24(29)20-42-27-13-8-22(9-14-27)32-36-30-19-23(33(38)39)10-17-31(30)37(32)26-4-2-1-3-5-26/h6-19,26H,1-5,20H2,(H,38,39)(H2,35,40,41)
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n/an/a 16n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1


(Homo sapiens (Human))		BDBM493891
PNG
(US10988462, Example 7)
Show SMILES C[C@@H]1[C@H](CNC1=O)C(=O)Nc1cc(-c2cccc(OC(F)(F)F)c2)n(n1)-c1cncc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H17F6N5O3/c1-11-16(10-30-19(11)34)20(35)31-18-7-17(12-3-2-4-15(5-12)36-22(26,27)28)33(32-18)14-6-13(8-29-9-14)21(23,24)25/h2-9,11,16H,10H2,1H3,(H,30,34)(H,31,32,35)/t11-,16+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
Human SGLT1-stably-expressing cell lines were seeded at 5×104 cells/well on BioCoat™ Poly-D-Lysine 96 well plate with Lid (Becton, Dickinson and Comp...

US Patent US10988462 (2021)


BindingDB Entry DOI: 10.7270/Q2TH8QV5
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50199051
PNG
(3-benzyloxy-12-cyclohexyl-6,7-dihydro-5-oxa-7a-aza...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccc(OCc5ccccc5)cc4OCCn3c2c1
Show InChI InChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-18-23(35-19-20-7-3-1-4-8-20)12-14-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33)
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n/an/a 17n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase

J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191525
PNG
(2-{4-[4'-chloro-4-(piperidine-1-carbonyl)biphenyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cc(ccc2-c2ccc(Cl)cc2)C(=O)N2CCCCC2)cc1F
Show InChI InChI=1S/C39H37ClFN3O4/c40-29-13-9-25(10-14-29)32-16-11-26(38(45)43-19-5-2-6-20-43)21-28(32)24-48-31-15-17-33(34(41)23-31)37-42-35-22-27(39(46)47)12-18-36(35)44(37)30-7-3-1-4-8-30/h9-18,21-23,30H,1-8,19-20,24H2,(H,46,47)
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n/an/a 18n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50370761
PNG
(CHEMBL1204385)
Show SMILES CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C27H33N3O2/c1-28(2)14-15-29-16-17-30-24-18-20(27(31)32)12-13-21(24)25(19-8-4-3-5-9-19)26(30)22-10-6-7-11-23(22)29/h6-7,10-13,18-19H,3-5,8-9,14-17H2,1-2H3,(H,31,32)
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n/an/a 18n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase

J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191531
PNG
(2-[4-(4'-chloro-4-methylcarbamoylbiphenyl-2-ylmeth...)
Show SMILES CNC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H32ClN3O4/c1-37-34(40)24-11-17-30(22-7-13-27(36)14-8-22)26(19-24)21-43-29-15-9-23(10-16-29)33-38-31-20-25(35(41)42)12-18-32(31)39(33)28-5-3-2-4-6-28/h7-20,28H,2-6,21H2,1H3,(H,37,40)(H,41,42)
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n/an/a 18n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191529
PNG
(2-[4-(4-acetyl-4'-chlorobiphenyl-2-ylmethoxy)pheny...)
Show SMILES CC(=O)c1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H31ClN2O4/c1-22(39)25-11-17-31(23-7-13-28(36)14-8-23)27(19-25)21-42-30-15-9-24(10-16-30)34-37-32-20-26(35(40)41)12-18-33(32)38(34)29-5-3-2-4-6-29/h7-20,29H,2-6,21H2,1H3,(H,40,41)
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n/an/a 18n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50199043
PNG
(13-cyclohexyl-5-methyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C24H26N2O2/c1-25-13-14-26-21-15-17(24(27)28)11-12-18(21)22(16-7-3-2-4-8-16)23(26)19-9-5-6-10-20(19)25/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3,(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase

J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191542
PNG
(2-{4-[4-(acetylethylamino)-4'-chlorobiphenyl-2-ylm...)
Show SMILES CCN(C(C)=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H35ClFN3O4/c1-3-41(23(2)43)29-14-16-31(24-9-12-27(38)13-10-24)26(19-29)22-46-30-15-17-32(33(39)21-30)36-40-34-20-25(37(44)45)11-18-35(34)42(36)28-7-5-4-6-8-28/h9-21,28H,3-8,22H2,1-2H3,(H,44,45)
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n/an/a 19n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191548
PNG
(2-{4-[4'-chloro-4-(2-hydroxyethylcarbamoyl)bipheny...)
Show SMILES OCCNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C36H33ClFN3O5/c37-26-10-6-22(7-11-26)29-13-8-23(35(43)39-16-17-42)18-25(29)21-46-28-12-14-30(31(38)20-28)34-40-32-19-24(36(44)45)9-15-33(32)41(34)27-4-2-1-3-5-27/h6-15,18-20,27,42H,1-5,16-17,21H2,(H,39,43)(H,44,45)
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50370762
PNG
(CHEMBL1203925)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4NCCn3c2c1
Show InChI InChI=1S/C23H24N2O2/c26-23(27)16-10-11-18-20(14-16)25-13-12-24-19-9-5-4-8-17(19)22(25)21(18)15-6-2-1-3-7-15/h4-5,8-11,14-15,24H,1-3,6-7,12-13H2,(H,26,27)
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase

J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191543
PNG
(2-{4-[4-(acetylisopropylamino)-4'-chlorobiphenyl-2...)
Show SMILES CC(C)N(C(C)=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C38H37ClFN3O4/c1-23(2)42(24(3)44)30-14-16-32(25-9-12-28(39)13-10-25)27(19-30)22-47-31-15-17-33(34(40)21-31)37-41-35-20-26(38(45)46)11-18-36(35)43(37)29-7-5-4-6-8-29/h9-21,23,29H,4-8,22H2,1-3H3,(H,45,46)
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191524
PNG
(2-[4-(4'-chloro-4-propylcarbamoylbiphenyl-2-ylmeth...)
Show SMILES CCCNC(=O)c1ccc(c(COc2ccc(-c3nc4cc(ccc4n3C3CCCCC3)C(O)=O)c(F)c2)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C37H35ClFN3O4/c1-2-18-40-36(43)24-10-15-30(23-8-12-27(38)13-9-23)26(19-24)22-46-29-14-16-31(32(39)21-29)35-41-33-20-25(37(44)45)11-17-34(33)42(35)28-6-4-3-5-7-28/h8-17,19-21,28H,2-7,18,22H2,1H3,(H,40,43)(H,44,45)
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n/an/a 21n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
RNA-directed RNA polymerase


(Hepatitis C virus)		BDBM50191544
PNG
(2-[4-(4-acetylamino-4'-chlorobiphenyl-2-ylmethoxy)...)
Show SMILES CC(=O)Nc1ccc(c(COc2ccc(cc2)-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C35H32ClN3O4/c1-22(40)37-28-14-17-31(23-7-12-27(36)13-8-23)26(19-28)21-43-30-15-9-24(10-16-30)34-38-32-20-25(35(41)42)11-18-33(32)39(34)29-5-3-2-4-6-29/h7-20,29H,2-6,21H2,1H3,(H,37,40)(H,41,42)
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n/an/a 22n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV 1b BK six His-tagged C-terminal truncated 544 amino acid NS5B RNA dependent RNA polymerase

J Med Chem 49: 4721-36 (2006)


Article DOI: 10.1021/jm060269e
BindingDB Entry DOI: 10.7270/Q2FN15TD
More data for this
Ligand-Target Pair
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